REMARK Name = BDB039364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.795 -0.669 -4.904 0.00 0.00 +0.150 C ATOM 2 N LIG 1 -1.777 -0.871 -3.866 0.00 0.00 -0.335 N ATOM 3 C LIG 1 -1.505 -0.806 -2.523 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -2.692 -1.041 -1.836 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.653 -1.018 -0.428 0.00 0.00 -0.021 A ATOM 6 C LIG 1 -1.396 -0.750 0.151 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -0.269 -0.515 -0.642 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -3.697 -1.257 -2.823 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -0.292 -0.553 -1.996 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -3.105 -1.147 -4.063 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.057 -0.216 -0.051 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.235 -0.692 -0.671 0.00 0.00 +0.016 A ATOM 13 C LIG 1 3.468 -0.408 -0.107 0.00 0.00 -0.017 A ATOM 14 C LIG 1 4.836 -0.772 -0.574 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.685 -0.262 0.495 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.965 0.488 1.413 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.383 1.157 2.337 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.549 0.346 1.058 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.434 0.847 1.697 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.186 0.560 1.133 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 7.136 -0.221 0.355 0.00 0.00 +0.163 C ATOM 22 C LIG 1 7.596 1.083 -0.316 0.00 0.00 +0.240 C ATOM 23 O LIG 1 6.927 1.689 -1.152 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 8.877 1.492 -0.024 0.00 0.00 -0.255 N ATOM 25 H LIG 1 9.189 2.331 -0.494 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 9.819 0.840 0.730 0.00 0.00 +0.219 C ATOM 27 O LIG 1 10.977 1.246 0.786 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 9.383 -0.442 1.400 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.887 -0.443 1.669 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 -3.853 -1.268 0.458 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 -4.112 -0.160 1.395 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 -5.181 -0.506 2.351 0.00 0.00 +0.088 C ATOM 33 C LIG 1 -6.490 -0.206 1.629 0.00 0.00 +0.007 C ATOM 34 C LIG 1 -6.122 0.817 0.547 0.00 0.00 +0.007 C ATOM 35 C LIG 1 -7.011 2.033 0.791 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -8.211 1.460 1.533 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -7.580 0.443 2.476 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -4.625 1.048 0.715 0.00 0.00 +0.088 C ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 4